O3-(4-bromanylbutyl) O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate

Systemtic Name: O3-(4-bromanylbutyl) O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O3-(4-bromobutyl) O5-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-(4-bromobutyl) ester O5-methyl ester IUPAC Name: 3-O-(4-bromobutyl) 5-O-methyl 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 2-cyano-6-methyl-3-(4-nitrophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-(4-bromobutyl) ester O5-methyl ester Formula: C20H22BrN3O6 MolecularWeight: 480.30918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(N1)C#N)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCCCBr)C(=O)OC

Isomeric SMILES

CC1=C(CC(C(N1)C#N)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCCCBr)C(=O)OC

InChI

InChI=1S/C20H22BrN3O6/c1-13-16(18(25)29-2)11-20(17(12-22)23-13,19(26)30-10-4-3-9-21)14-5-7-15(8-6-14)24(27)28/h5-8,17,23H,3-4,9-11H2,1-2H3